SCHEMBL7541941

SCHEMBL7541941

CC(C)CC(C(=O)NC(CNCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.38
▸ FPR2 P25090 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ MMP3 P08254 4/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ REN P00797 1/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7541860 0.94 FOLH1 (0.39) GAAMAPTHPGDRAB9ATP53
SCHEMBL7541062 0.94 FOLH1 (0.39) GAAMAPTHPGDRAB9ATP53
SCHEMBL7541814 0.94 MAPK1 (0.38) GAAMAPTHPGDRAB9AFPR2
SCHEMBL7542492 0.93 MAPK1 (0.39) FPR2MAPK1ALDH1A1LMNA
SCHEMBL7545836 0.93 MAPK1 (0.39) FPR2MAPK1ALDH1A1LMNA
SCHEMBL7540893 0.93 GAA (0.40) GAAMAPTHPGDRAB9ACTSS
SCHEMBL7541671 0.92 ANPEP (0.46) RAB9AFPR2CTSSCTSKMMP3
SCHEMBL7538130 0.90 MEN1 (0.41) GAAMAPTFPR2MAPK1ALDH1A1
SCHEMBL7544683 0.90 MAPT (0.45) GAAMAPTHPGDRAB9ATP53
SCHEMBL7565424 0.89 CTSK (0.40) GAAMAPTHPGDRAB9ACTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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